[gmx-users] LINCS problem
s lal badshah
shahbiochemist at yahoo.com
Mon Mar 24 06:44:19 CET 2008
Dear Experts,
I checked the error lincs page and from that what I ignored in my work are the two errors these are:
Warning: there are 0 atoms with zero occupancy and 1 atom with occupancy unequal to one (out of 1480 atoms).Check your pdb file
Warning: masses will be determined based on residue and atom names,this can deviate from the real mass of the atom type.In case you use free energy of solvation predictions.
Can I correct these errors?
regards,
Lal badshah
SYED LAL BADSHAH
M.Phil Scholar
NCE in Physical Chemistry,
University of Peshawar.
NWFP,Pakistan.
Cell # 03349060632.
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